CID 71128

Aprofene

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey
DIDYGLSKVUKRRP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

386
Patents

325.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.7
[M+Na]+ 348.19342 193.5
[M+NH4]+ 343.23802 189.1
[M+K]+ 364.16736 186.1
[M-H]- 324.19692 186.0
[M+Na-2H]- 346.17887 190.1
[M]+ 325.20365 184.7
[M]- 325.20475 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe